[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o234
[ doi:10.1107/S1600536813000779 ]

4-Amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide-2-nitrobenzoic acid (1/1)

G. Smith and U. D. Wermuth


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT915_ALERT_3_B Low Friedel Pair Coverage ...................... 27 Perc.
Alert level C PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.7 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0048 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 5 PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... 0.0027 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.029
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 4 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 Perc. PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C42A PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 29
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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